6-Methyl-2-Phenyl-2,3-Dihydro-1,3,2-Benzothiazaphosphole 2-Sulfide

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Properties Simple | Detailed

Formula C13H13NPS2
IUPAC Name (2r)-6-methyl-2-phenyl-2-sulfido-3h-1,3,2-benzothiazaphosphol-2-ium
Molecular Mass 278.353 g·mol−1
Heat of Formation 111.4 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 315.61 Å 3
Surface Area 282.91 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey SGNNWCGXIXCYNI-OAHLLOKOSA-N
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